3-oxidanylidene-3-[2-[5-[(Z)-(5-oxidanylidenepyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(5-oxidanylidenepyrrol-2-ylidene)methyl]-3-[3-oxidanylidene-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]ethylamino]propane-1-sulfonic acid

Systemtic Name: 3-oxidanylidene-3-[2-[5-[(Z)-(5-oxidanylidenepyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(5-oxidanylidenepyrrol-2-ylidene)methyl]-3-[3-oxidanylidene-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]ethylamino]propane-1-sulfonic acid Openeye Name: 3-oxo-3-[2-[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]ethylamino]propane-1-sulfonic acid CAS Name: 3-oxo-3-[2-[5-[(Z)-(5-oxo-2-pyrrolylidene)methyl]-2-[[5-[(Z)-(5-oxo-2-pyrrolylidene)methyl]-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]ethylamino]-1-propanesulfonic acid IUPAC Name: 3-oxo-3-[2-[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(5-oxopyrrol-2-ylidene)methyl]-3-[3-oxo-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]ethylamino]propane-1-sulfonic acid Traditional Name: 3-keto-3-[2-[5-[(Z)-(5-keto-3-pyrrolin-2-ylidene)methyl]-2-[[5-[(Z)-(5-keto-3-pyrrolin-2-ylidene)methyl]-3-[3-keto-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-1H-pyrrol-3-yl]ethylamino]propane-1-sulfonic acid Formula: C29H34N6O10S2 MolecularWeight: 690.74446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)NC1=CC2=CC(=C(N2)CC3=C(C=C(N3)C=C4C=CC(=O)N4)CCNC(=O)CCS(=O)(=O)O)CCC(=O)NCCS(=O)(=O)O

Isomeric SMILES

C\1=CC(=O)N/C1=C\C2=CC(=C(N2)CC3=C(C=C(N3)/C=C\4/C=CC(=O)N4)CCNC(=O)CCS(=O)(=O)O)CCC(=O)NCCS(=O)(=O)O

InChI

InChI=1S/C29H34N6O10S2/c36-26(31-10-12-47(43,44)45)4-1-18-13-22(15-20-2-5-28(38)34-20)32-24(18)17-25-19(7-9-30-27(37)8-11-46(40,41)42)14-23(33-25)16-21-3-6-29(39)35-21/h2-3,5-6,13-16,32-33H,1,4,7-12,17H2,(H,30,37)(H,31,36)(H,34,38)(H,35,39)(H,40,41,42)(H,43,44,45)/b20-15-,21-16-